N-[4-(azepan-1-yl)phenyl]-4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxamide Formula: C23H25FN2O2S MolecularWeight: 412.520203

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C23H25FN2O2S/c1-28-15-18-21-19(24)7-6-8-20(21)29-22(18)23(27)25-16-9-11-17(12-10-16)26-13-4-2-3-5-14-26/h6-12H,2-5,13-15H2,1H3,(H,25,27)